SCHEMBL10520101

SCHEMBL10520101

O=S(=O)(CCl)Nc1ccnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 6/20 0.43
AVPR1A P37288 2/20 0.41
GABRB3 P28472 11/20 0.38
GABRA2 P47869 6/20 0.38
GABRB2 P47870 6/20 0.38
BACE1 P56817 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
MEN1 O00255 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10519709 0.85 OXTR (0.47) OXTRAVPR1AGABRB3GABRA2GABRB2
SCHEMBL10372959 0.78 BACE1 (0.43) GABRB3GABRA2GABRB2BACE1GABRP
SCHEMBL9527645 0.77 BACE1 (0.42) GABRB3GABRA2GABRB2BACE1GABRP
SCHEMBL10800915 0.76 GABRB3 (0.43) GABRB3GABRA2GABRB2BACE1GABRP
SCHEMBL9822782 0.75 GABRB3 (0.45) GABRB3GABRA2GABRB2BACE1GABRP
SCHEMBL9526983 0.74 BACE1 (0.41) GABRB3GABRA2GABRB2BACE1GABRP
SCHEMBL10411191 0.73 BACE1 (0.39) GABRB3GABRA2GABRB2BACE1GABRP
SCHEMBL10347986 0.73 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9526822 0.72 GABRA2 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10560567 0.72 SMN1; SMN2 (0.43) GABRB3GABRA2GABRB2BACE1GABRP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4806144-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed